2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[benzyl-(4-fluorophenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[benzyl-(4-fluorophenyl)sulfonylamino]-3,5-dimethylbenzoic acid Traditional Name: 2-[benzyl-(4-fluorophenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H20FNO4S/c1-15-12-16(2)21(20(13-15)22(25)26)24(14-17-6-4-3-5-7-17)29(27,28)19-10-8-18(23)9-11-19/h3-13H,14H2,1-2H3,(H,25,26)